N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide

C23H27ClN4O4 — CID 24810299

IUPACN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)C(C)C)cc23)cc1Cl
InChIInChI=1S/C23H27ClN4O4/c1-13(2)23(30)28-18-10-16-20(15(7-8-29)21(18)32-4)26-12-27-22(16)25-11-14-5-6-19(31-3)17(24)9-14/h5-6,9-10,12-13,29H,7-8,11H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyXHXWMODRCZLVMZ-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.04
Rot. Bonds9

About N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide

N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide (PubChem CID 24810299) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
PubChem CID24810299
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)C(C)C)cc23)cc1Cl
InChIInChI=1S/C23H27ClN4O4/c1-13(2)23(30)28-18-10-16-20(15(7-8-29)21(18)32-4)26-12-27-22(16)25-11-14-5-6-19(31-3)17(24)9-14/h5-6,9-10,12-13,29H,7-8,11H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyXHXWMODRCZLVMZ-UHFFFAOYSA-N
XLogP4.04
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide with MolForge

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Related Compounds

2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol
CID 69186802
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide
CID 24810344
N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide
CID 69164564
methanesulfonic acid;methyl N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-methylcarbamate
CID 53235210
(E)-but-2-enedioic acid;methyl N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-methylcarbamate
CID 53235137
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-8-propylquinazolin-6-yl]benzenesulfonamide
CID 24810654
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitrothieno[2,3-d]pyrimidin-4-amine
CID 142684119
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide (CID 24810299) is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide is COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)C(C)C)cc23)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide?
The InChIKey is XHXWMODRCZLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-13(2)23(30)28-18-10-16-20(15(7-8-29)21(18)32-4)26-12-27-22(16)25-11-14-5-6-19(31-3)17(24)9-14/h5-6,9-10,12-13,29H,7-8,11H2,1-4H3,(H,28,30)(H,25,26,27).
What are the key properties of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide?
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide has a molecular weight of 458.95 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 24810299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).